[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C23H18N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C23H18N2O5 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C23H18N2O5/c26-22(18-8-11-20-21(14-18)29-13-12-28-20)25-24-15-16-6-9-19(10-7-16)30-23(27)17-4-2-1-3-5-17/h1-11,14-15H,12-13H2,(H,25,26) |
| InChIK | GAEYDJXUQMKIOU-UHFFFAOYSA-N |
| TotalMolweight | 402.405 |
| Molweight | 402.405 |
| MonoisotopicMass | 402.121573 |
| CLogP | 4.6109 |
| CLogS | -5.373 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.52 |
| Relative PSA | 0.25622 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | -3.0943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate | 2 - [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate
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